@MOLECULE DB02317 29 29 1 SMALL USER_CHARGES @ATOM 1 P1 -1.2574 -0.8066 -1.2694 P 1 noname 0.0230 2 O1 -2.5680 -1.3305 -0.9842 O.2 1 noname -0.1947 3 O2 -0.9431 0.3466 -0.2983 O.3 1 noname -0.1311 4 O3 -0.2100 -1.9224 -1.0974 O.3 1 noname -0.1633 5 O4 -1.2174 -0.2838 -2.7173 O.3 1 noname -0.1633 6 C1 0.3526 0.8645 -0.5802 C.3 1 noname 0.2010 7 O5 0.3663 1.3541 -1.9580 O.3 1 noname -0.3405 8 C2 0.6399 1.9023 0.5483 C.3 1 noname 0.1342 9 C3 1.1964 2.5073 -2.2861 C.3 1 noname 0.1124 10 O6 -0.1639 1.6050 1.6805 O.3 1 noname -0.3849 11 C4 0.3215 3.3326 0.0508 C.3 1 noname 0.1134 12 C5 0.9669 3.7078 -1.3148 C.3 1 noname 0.1112 13 C6 2.6709 2.0999 -2.2540 C.3 1 noname 0.0722 14 O7 0.7169 4.2754 1.0363 O.3 1 noname -0.3873 15 O8 2.1994 4.3756 -1.0882 O.3 1 noname -0.3874 16 O9 2.8976 1.0681 -3.2029 O.3 1 noname -0.3934 17 H1 -0.0615 -2.0806 -0.1622 H 1 noname 0.2283 18 H2 -1.2006 -1.0265 -3.3254 H 1 noname 0.2283 19 H3 1.1175 0.0883 -0.6053 H 1 noname 0.0960 20 H4 1.6665 1.8329 0.9078 H 1 noname 0.0683 21 H5 0.8825 2.7796 -3.2938 H 1 noname 0.0657 22 H6 -0.2353 0.6529 1.7811 H 1 noname 0.2108 23 H7 -0.7608 3.4220 -0.0425 H 1 noname 0.0658 24 H8 0.3172 4.4302 -1.8087 H 1 noname 0.0657 25 H9 3.2629 2.9475 -2.5991 H 1 noname 0.0591 26 H10 2.8762 1.6514 -1.2820 H 1 noname 0.0591 27 H11 0.5631 3.9087 1.9100 H 1 noname 0.2106 28 H12 2.3502 4.4573 -0.1436 H 1 noname 0.2106 29 H13 3.0785 0.2449 -2.7434 H 1 noname 0.2101 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 1 5 1 5 6 3 1 6 6 7 1 7 6 8 1 8 7 9 1 9 8 10 1 10 8 11 1 11 9 12 1 12 9 13 1 13 11 14 1 14 11 12 1 15 12 15 1 16 13 16 1 17 4 17 1 18 5 18 1 19 6 19 1 20 8 20 1 21 9 21 1 22 10 22 1 23 11 23 1 24 12 24 1 25 13 25 1 26 13 26 1 27 14 27 1 28 15 28 1 29 16 29 1 @SUBSTRUCTURE 1 noname 1